6-(4-chloranylphenoxy)-9-methyl-2-(3-methylpyrazol-1-yl)purine

Systemtic Name: 6-(4-chloranylphenoxy)-9-methyl-2-(3-methylpyrazol-1-yl)purine Openeye Name: 6-(4-chlorophenoxy)-9-methyl-2-(3-methylpyrazol-1-yl)purine CAS Name: 6-(4-chlorophenoxy)-9-methyl-2-(3-methyl-1-pyrazolyl)purine IUPAC Name: 6-(4-chlorophenoxy)-9-methyl-2-(3-methylpyrazol-1-yl)purine Traditional Name: 6-(4-chlorophenoxy)-9-methyl-2-(3-methylpyrazol-1-yl)purine Formula: C16H13ClN6O MolecularWeight: 340.76702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C2=NC3=C(C(=N2)OC4=CC=C(C=C4)Cl)N=CN3C

Isomeric SMILES

CC1=NN(C=C1)C2=NC3=C(C(=N2)OC4=CC=C(C=C4)Cl)N=CN3C

InChI

InChI=1S/C16H13ClN6O/c1-10-7-8-23(21-10)16-19-14-13(18-9-22(14)2)15(20-16)24-12-5-3-11(17)4-6-12/h3-9H,1-2H3